smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(N(C)C)cc1 ZINC000151272129 402027017 /nfs/dbraw/zinc/02/70/17/402027017.db2.gz IAQCFJWQBXXEGQ-CRAIPNDOSA-N 2 1 305.466 2.250 10 10 DECEMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180088525 523797997 /nfs/dbraw/zinc/79/79/97/523797997.db2.gz ACAIZRFHNCIMAR-KRWDZBQOSA-N 2 1 321.440 2.133 10 10 DECEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180088525 523798008 /nfs/dbraw/zinc/79/80/08/523798008.db2.gz ACAIZRFHNCIMAR-KRWDZBQOSA-N 2 1 321.440 2.133 10 10 DECEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC000121077412 684104852 /nfs/dbraw/zinc/10/48/52/684104852.db2.gz RKGZHOFPJKJTMM-MRXNPFEDSA-N 2 1 319.493 2.277 10 10 DECEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC000121077247 684104834 /nfs/dbraw/zinc/10/48/34/684104834.db2.gz RKGZHOFPJKJTMM-INIZCTEOSA-N 2 1 319.493 2.277 10 10 DECEMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180088509 523794413 /nfs/dbraw/zinc/79/44/13/523794413.db2.gz ACAIZRFHNCIMAR-QGZVFWFLSA-N 2 1 321.440 2.133 10 10 DECEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180088509 523794419 /nfs/dbraw/zinc/79/44/19/523794419.db2.gz ACAIZRFHNCIMAR-QGZVFWFLSA-N 2 1 321.440 2.133 10 10 DECEMP COc1cc(O)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000180423533 625186034 /nfs/dbraw/zinc/18/60/34/625186034.db2.gz GPXWSZGSAPDIHG-TZMCWYRMSA-N 2 1 308.422 2.324 10 10 DECEMP COc1cc(O)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000180423533 625186037 /nfs/dbraw/zinc/18/60/37/625186037.db2.gz GPXWSZGSAPDIHG-TZMCWYRMSA-N 2 1 308.422 2.324 10 10 DECEMP COc1cc(O)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000180423533 625186039 /nfs/dbraw/zinc/18/60/39/625186039.db2.gz GPXWSZGSAPDIHG-TZMCWYRMSA-N 2 1 308.422 2.324 10 10 DECEMP COc1cc(O)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000180423533 625186041 /nfs/dbraw/zinc/18/60/41/625186041.db2.gz GPXWSZGSAPDIHG-TZMCWYRMSA-N 2 1 308.422 2.324 10 10 DECEMP COc1cc(O)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000180423551 648491495 /nfs/dbraw/zinc/49/14/95/648491495.db2.gz GPXWSZGSAPDIHG-GXTWGEPZSA-N 2 1 308.422 2.324 10 10 DECEMP COc1cc(O)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000180423551 648491498 /nfs/dbraw/zinc/49/14/98/648491498.db2.gz GPXWSZGSAPDIHG-GXTWGEPZSA-N 2 1 308.422 2.324 10 10 DECEMP COc1cc(O)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000180423551 648491499 /nfs/dbraw/zinc/49/14/99/648491499.db2.gz GPXWSZGSAPDIHG-GXTWGEPZSA-N 2 1 308.422 2.324 10 10 DECEMP COc1cc(O)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000180423551 648491502 /nfs/dbraw/zinc/49/15/02/648491502.db2.gz GPXWSZGSAPDIHG-GXTWGEPZSA-N 2 1 308.422 2.324 10 10 DECEMP COc1cc(O)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000180423586 625185738 /nfs/dbraw/zinc/18/57/38/625185738.db2.gz GPXWSZGSAPDIHG-JSGCOSHPSA-N 2 1 308.422 2.324 10 10 DECEMP COc1cc(O)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000180423586 625185746 /nfs/dbraw/zinc/18/57/46/625185746.db2.gz GPXWSZGSAPDIHG-JSGCOSHPSA-N 2 1 308.422 2.324 10 10 DECEMP COc1cc(O)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000180423586 625185748 /nfs/dbraw/zinc/18/57/48/625185748.db2.gz GPXWSZGSAPDIHG-JSGCOSHPSA-N 2 1 308.422 2.324 10 10 DECEMP COc1cc(O)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000180423586 625185754 /nfs/dbraw/zinc/18/57/54/625185754.db2.gz GPXWSZGSAPDIHG-JSGCOSHPSA-N 2 1 308.422 2.324 10 10 DECEMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(N3CCOCC3)cc2)CC[N@@H+]1C ZINC000093644241 684050571 /nfs/dbraw/zinc/05/05/71/684050571.db2.gz ZNHWGWAXYWPIJE-APWZRJJASA-N 2 1 317.477 2.438 10 10 DECEMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(N3CCOCC3)cc2)CC[N@H+]1C ZINC000093644241 684050573 /nfs/dbraw/zinc/05/05/73/684050573.db2.gz ZNHWGWAXYWPIJE-APWZRJJASA-N 2 1 317.477 2.438 10 10 DECEMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC[NH+]1C ZINC000093644241 684050574 /nfs/dbraw/zinc/05/05/74/684050574.db2.gz ZNHWGWAXYWPIJE-APWZRJJASA-N 2 1 317.477 2.438 10 10 DECEMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC[NH+]1C ZINC000093644241 684050576 /nfs/dbraw/zinc/05/05/76/684050576.db2.gz ZNHWGWAXYWPIJE-APWZRJJASA-N 2 1 317.477 2.438 10 10 DECEMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000093132941 402011845 /nfs/dbraw/zinc/01/18/45/402011845.db2.gz LWTXYDWYMFCWHL-INIZCTEOSA-N 2 1 323.868 2.257 10 10 DECEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(F)ccc2O)CC1 ZINC000180103823 525748465 /nfs/dbraw/zinc/74/84/65/525748465.db2.gz MFXWJTXEKZBTPG-ZDUSSCGKSA-N 2 1 310.413 2.056 10 10 DECEMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc2c(cc1O)OCO2 ZINC000093660163 193284233 /nfs/dbraw/zinc/28/42/33/193284233.db2.gz MMMQMOUGJQHCTJ-CQSZACIVSA-N 2 1 306.406 2.427 10 10 DECEMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc2c(cc1O)OCO2 ZINC000093660163 193284234 /nfs/dbraw/zinc/28/42/34/193284234.db2.gz MMMQMOUGJQHCTJ-CQSZACIVSA-N 2 1 306.406 2.427 10 10 DECEMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cc2c(cc1O)OCO2 ZINC000093660163 193284235 /nfs/dbraw/zinc/28/42/35/193284235.db2.gz MMMQMOUGJQHCTJ-CQSZACIVSA-N 2 1 306.406 2.427 10 10 DECEMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cc2c(cc1O)OCO2 ZINC000093660163 193284236 /nfs/dbraw/zinc/28/42/36/193284236.db2.gz MMMQMOUGJQHCTJ-CQSZACIVSA-N 2 1 306.406 2.427 10 10 DECEMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc3c(cc2O)OCO3)C1 ZINC000246230716 402519305 /nfs/dbraw/zinc/51/93/05/402519305.db2.gz DZWPCUPPHUKOMR-GXTWGEPZSA-N 2 1 304.390 2.037 10 10 DECEMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)C1 ZINC000246230716 402519307 /nfs/dbraw/zinc/51/93/07/402519307.db2.gz DZWPCUPPHUKOMR-GXTWGEPZSA-N 2 1 304.390 2.037 10 10 DECEMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc3c(cc2O)OCO3)C1 ZINC000246230716 402519309 /nfs/dbraw/zinc/51/93/09/402519309.db2.gz DZWPCUPPHUKOMR-GXTWGEPZSA-N 2 1 304.390 2.037 10 10 DECEMP Cc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1O ZINC000180074469 402606614 /nfs/dbraw/zinc/60/66/14/402606614.db2.gz YPBGJIIJVUWBKZ-GOSISDBHSA-N 2 1 317.477 2.303 10 10 DECEMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(N3CCOCC3)cc2)CC[N@@H+]1C ZINC000093644239 684050538 /nfs/dbraw/zinc/05/05/38/684050538.db2.gz ZNHWGWAXYWPIJE-VQIMIIECSA-N 2 1 317.477 2.438 10 10 DECEMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(N3CCOCC3)cc2)CC[N@H+]1C ZINC000093644239 684050541 /nfs/dbraw/zinc/05/05/41/684050541.db2.gz ZNHWGWAXYWPIJE-VQIMIIECSA-N 2 1 317.477 2.438 10 10 DECEMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC[NH+]1C ZINC000093644239 684050545 /nfs/dbraw/zinc/05/05/45/684050545.db2.gz ZNHWGWAXYWPIJE-VQIMIIECSA-N 2 1 317.477 2.438 10 10 DECEMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC[NH+]1C ZINC000093644239 684050547 /nfs/dbraw/zinc/05/05/47/684050547.db2.gz ZNHWGWAXYWPIJE-VQIMIIECSA-N 2 1 317.477 2.438 10 10 DECEMP COc1cc(O)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000245540130 225220804 /nfs/dbraw/zinc/22/08/04/225220804.db2.gz LVONGKVPIYCIIE-DZGCQCFKSA-N 2 1 320.433 2.326 10 10 DECEMP COc1cc(O)c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1OC ZINC000245540130 225220807 /nfs/dbraw/zinc/22/08/07/225220807.db2.gz LVONGKVPIYCIIE-DZGCQCFKSA-N 2 1 320.433 2.326 10 10 DECEMP COc1cc(O)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1OC ZINC000245540130 225220810 /nfs/dbraw/zinc/22/08/10/225220810.db2.gz LVONGKVPIYCIIE-DZGCQCFKSA-N 2 1 320.433 2.326 10 10 DECEMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(N3CCOCC3)cc2)CC[N@@H+]1C ZINC000093644240 684050649 /nfs/dbraw/zinc/05/06/49/684050649.db2.gz ZNHWGWAXYWPIJE-QFBILLFUSA-N 2 1 317.477 2.438 10 10 DECEMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(N3CCOCC3)cc2)CC[N@H+]1C ZINC000093644240 684050651 /nfs/dbraw/zinc/05/06/51/684050651.db2.gz ZNHWGWAXYWPIJE-QFBILLFUSA-N 2 1 317.477 2.438 10 10 DECEMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC[NH+]1C ZINC000093644240 684050655 /nfs/dbraw/zinc/05/06/55/684050655.db2.gz ZNHWGWAXYWPIJE-QFBILLFUSA-N 2 1 317.477 2.438 10 10 DECEMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC[NH+]1C ZINC000093644240 684050657 /nfs/dbraw/zinc/05/06/57/684050657.db2.gz ZNHWGWAXYWPIJE-QFBILLFUSA-N 2 1 317.477 2.438 10 10 DECEMP Cc1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1O ZINC000180093890 524376186 /nfs/dbraw/zinc/37/61/86/524376186.db2.gz WVZWYWIMUMBFJY-HNNXBMFYSA-N 2 1 306.450 2.225 10 10 DECEMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4c(cc3O)OCO4)CC[C@H]21 ZINC000247017532 530064579 /nfs/dbraw/zinc/06/45/79/530064579.db2.gz LOKKOGJSWTXKRZ-GXTWGEPZSA-N 2 1 304.390 2.037 10 10 DECEMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)CC[C@H]21 ZINC000247017532 530064580 /nfs/dbraw/zinc/06/45/80/530064580.db2.gz LOKKOGJSWTXKRZ-GXTWGEPZSA-N 2 1 304.390 2.037 10 10 DECEMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)CC[C@H]21 ZINC000247017532 530064581 /nfs/dbraw/zinc/06/45/81/530064581.db2.gz LOKKOGJSWTXKRZ-GXTWGEPZSA-N 2 1 304.390 2.037 10 10 DECEMP COc1cc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000245538873 225220189 /nfs/dbraw/zinc/22/01/89/225220189.db2.gz KNZUNKWGBAPEOM-DZGCQCFKSA-N 2 1 320.433 2.326 10 10 DECEMP COc1cc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000245538873 225220192 /nfs/dbraw/zinc/22/01/92/225220192.db2.gz KNZUNKWGBAPEOM-DZGCQCFKSA-N 2 1 320.433 2.326 10 10 DECEMP COc1cc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000245538873 225220196 /nfs/dbraw/zinc/22/01/96/225220196.db2.gz KNZUNKWGBAPEOM-DZGCQCFKSA-N 2 1 320.433 2.326 10 10 DECEMP COc1cc(O)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000245538876 225220223 /nfs/dbraw/zinc/22/02/23/225220223.db2.gz KNZUNKWGBAPEOM-UKRRQHHQSA-N 2 1 320.433 2.326 10 10 DECEMP COc1cc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000245538876 225220226 /nfs/dbraw/zinc/22/02/26/225220226.db2.gz KNZUNKWGBAPEOM-UKRRQHHQSA-N 2 1 320.433 2.326 10 10 DECEMP COc1cc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000245538876 225220229 /nfs/dbraw/zinc/22/02/29/225220229.db2.gz KNZUNKWGBAPEOM-UKRRQHHQSA-N 2 1 320.433 2.326 10 10 DECEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Br)ccc3O)C[C@@H]12 ZINC000310793409 625162719 /nfs/dbraw/zinc/16/27/19/625162719.db2.gz FAQXOOHLNNUFDA-OASPWFOLSA-N 2 1 311.223 2.324 10 10 DECEMP Cc1ccc(O)c(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000093147984 193207973 /nfs/dbraw/zinc/20/79/73/193207973.db2.gz HCDPMZSUQBUFRS-GOSISDBHSA-N 2 1 317.477 2.303 10 10 DECEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2O)OCO3)[C@H](C)C1 ZINC000093639581 402017780 /nfs/dbraw/zinc/01/77/80/402017780.db2.gz RJUFIZHDTSSWPB-OCCSQVGLSA-N 2 1 306.406 2.283 10 10 DECEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)[C@H](C)C1 ZINC000093639581 402017782 /nfs/dbraw/zinc/01/77/82/402017782.db2.gz RJUFIZHDTSSWPB-OCCSQVGLSA-N 2 1 306.406 2.283 10 10 DECEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(cc2O)OCO3)[C@H](C)C1 ZINC000093639581 402017785 /nfs/dbraw/zinc/01/77/85/402017785.db2.gz RJUFIZHDTSSWPB-OCCSQVGLSA-N 2 1 306.406 2.283 10 10 DECEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Br)ccc3O)C[C@H]12 ZINC000310793410 639664908 /nfs/dbraw/zinc/66/49/08/639664908.db2.gz FAQXOOHLNNUFDA-TVYUQYBPSA-N 2 1 311.223 2.324 10 10 DECEMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(N(C)C)cc1 ZINC000151272053 402027097 /nfs/dbraw/zinc/02/70/97/402027097.db2.gz IAQCFJWQBXXEGQ-MAUKXSAKSA-N 2 1 305.466 2.250 10 10 DECEMP COc1cc(O)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000245540132 225221003 /nfs/dbraw/zinc/22/10/03/225221003.db2.gz LVONGKVPIYCIIE-ZFWWWQNUSA-N 2 1 320.433 2.326 10 10 DECEMP COc1cc(O)c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1OC ZINC000245540132 225221004 /nfs/dbraw/zinc/22/10/04/225221004.db2.gz LVONGKVPIYCIIE-ZFWWWQNUSA-N 2 1 320.433 2.326 10 10 DECEMP COc1cc(O)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1OC ZINC000245540132 225221006 /nfs/dbraw/zinc/22/10/06/225221006.db2.gz LVONGKVPIYCIIE-ZFWWWQNUSA-N 2 1 320.433 2.326 10 10 DECEMP COc1cc(O)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000180423568 648491280 /nfs/dbraw/zinc/49/12/80/648491280.db2.gz GPXWSZGSAPDIHG-OCCSQVGLSA-N 2 1 308.422 2.324 10 10 DECEMP COc1cc(O)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000180423568 648491283 /nfs/dbraw/zinc/49/12/83/648491283.db2.gz GPXWSZGSAPDIHG-OCCSQVGLSA-N 2 1 308.422 2.324 10 10 DECEMP COc1cc(O)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000180423568 648491285 /nfs/dbraw/zinc/49/12/85/648491285.db2.gz GPXWSZGSAPDIHG-OCCSQVGLSA-N 2 1 308.422 2.324 10 10 DECEMP COc1cc(O)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000180423568 648491288 /nfs/dbraw/zinc/49/12/88/648491288.db2.gz GPXWSZGSAPDIHG-OCCSQVGLSA-N 2 1 308.422 2.324 10 10 DECEMP Cc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1O ZINC000180074454 402606248 /nfs/dbraw/zinc/60/62/48/402606248.db2.gz YPBGJIIJVUWBKZ-SFHVURJKSA-N 2 1 317.477 2.303 10 10 DECEMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(cc3O)OCO4)CC[C@H]21 ZINC000247017542 530058952 /nfs/dbraw/zinc/05/89/52/530058952.db2.gz LOKKOGJSWTXKRZ-TZMCWYRMSA-N 2 1 304.390 2.037 10 10 DECEMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)CC[C@H]21 ZINC000247017542 530058953 /nfs/dbraw/zinc/05/89/53/530058953.db2.gz LOKKOGJSWTXKRZ-TZMCWYRMSA-N 2 1 304.390 2.037 10 10 DECEMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)CC[C@H]21 ZINC000247017542 530058954 /nfs/dbraw/zinc/05/89/54/530058954.db2.gz LOKKOGJSWTXKRZ-TZMCWYRMSA-N 2 1 304.390 2.037 10 10 DECEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cc2O)OCO3)[C@H](C)C1 ZINC000093639583 402017756 /nfs/dbraw/zinc/01/77/56/402017756.db2.gz RJUFIZHDTSSWPB-TZMCWYRMSA-N 2 1 306.406 2.283 10 10 DECEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)[C@H](C)C1 ZINC000093639583 402017759 /nfs/dbraw/zinc/01/77/59/402017759.db2.gz RJUFIZHDTSSWPB-TZMCWYRMSA-N 2 1 306.406 2.283 10 10 DECEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2O)OCO3)[C@H](C)C1 ZINC000093639583 402017762 /nfs/dbraw/zinc/01/77/62/402017762.db2.gz RJUFIZHDTSSWPB-TZMCWYRMSA-N 2 1 306.406 2.283 10 10 DECEMP Cc1ccc(O)c(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000093147983 193208478 /nfs/dbraw/zinc/20/84/78/193208478.db2.gz HCDPMZSUQBUFRS-SFHVURJKSA-N 2 1 317.477 2.303 10 10 DECEMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc2c(cc1O)OCO2 ZINC000093660164 402018218 /nfs/dbraw/zinc/01/82/18/402018218.db2.gz MMMQMOUGJQHCTJ-AWEZNQCLSA-N 2 1 306.406 2.427 10 10 DECEMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc2c(cc1O)OCO2 ZINC000093660164 402018222 /nfs/dbraw/zinc/01/82/22/402018222.db2.gz MMMQMOUGJQHCTJ-AWEZNQCLSA-N 2 1 306.406 2.427 10 10 DECEMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cc2c(cc1O)OCO2 ZINC000093660164 402018224 /nfs/dbraw/zinc/01/82/24/402018224.db2.gz MMMQMOUGJQHCTJ-AWEZNQCLSA-N 2 1 306.406 2.427 10 10 DECEMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc2c(cc1O)OCO2 ZINC000093660164 402018226 /nfs/dbraw/zinc/01/82/26/402018226.db2.gz MMMQMOUGJQHCTJ-AWEZNQCLSA-N 2 1 306.406 2.427 10 10 DECEMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(N(C)C)cc1 ZINC000151271930 402027081 /nfs/dbraw/zinc/02/70/81/402027081.db2.gz IAQCFJWQBXXEGQ-YJBOKZPZSA-N 2 1 305.466 2.250 10 10 DECEMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc3c(cc2O)OCO3)C1 ZINC000246230720 529807883 /nfs/dbraw/zinc/80/78/83/529807883.db2.gz DZWPCUPPHUKOMR-JSGCOSHPSA-N 2 1 304.390 2.037 10 10 DECEMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)C1 ZINC000246230720 529807884 /nfs/dbraw/zinc/80/78/84/529807884.db2.gz DZWPCUPPHUKOMR-JSGCOSHPSA-N 2 1 304.390 2.037 10 10 DECEMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc3c(cc2O)OCO3)C1 ZINC000246230720 529807885 /nfs/dbraw/zinc/80/78/85/529807885.db2.gz DZWPCUPPHUKOMR-JSGCOSHPSA-N 2 1 304.390 2.037 10 10 DECEMP Cc1cccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1O ZINC000180093870 524376518 /nfs/dbraw/zinc/37/65/18/524376518.db2.gz WVZWYWIMUMBFJY-OAHLLOKOSA-N 2 1 306.450 2.225 10 10 DECEMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000093132940 402011760 /nfs/dbraw/zinc/01/17/60/402011760.db2.gz LWTXYDWYMFCWHL-MRXNPFEDSA-N 2 1 323.868 2.257 10 10 DECEMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(N(C)C)cc1 ZINC000151271993 402027039 /nfs/dbraw/zinc/02/70/39/402027039.db2.gz IAQCFJWQBXXEGQ-QAPCUYQASA-N 2 1 305.466 2.250 10 10 DECEMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(N3CCOCC3)cc2)CC[N@@H+]1C ZINC000093644242 684050260 /nfs/dbraw/zinc/05/02/60/684050260.db2.gz ZNHWGWAXYWPIJE-LPHOPBHVSA-N 2 1 317.477 2.438 10 10 DECEMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(N3CCOCC3)cc2)CC[N@H+]1C ZINC000093644242 684050265 /nfs/dbraw/zinc/05/02/65/684050265.db2.gz ZNHWGWAXYWPIJE-LPHOPBHVSA-N 2 1 317.477 2.438 10 10 DECEMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC[NH+]1C ZINC000093644242 684050270 /nfs/dbraw/zinc/05/02/70/684050270.db2.gz ZNHWGWAXYWPIJE-LPHOPBHVSA-N 2 1 317.477 2.438 10 10 DECEMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC[NH+]1C ZINC000093644242 684050274 /nfs/dbraw/zinc/05/02/74/684050274.db2.gz ZNHWGWAXYWPIJE-LPHOPBHVSA-N 2 1 317.477 2.438 10 10 DECEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(F)ccc2O)CC1 ZINC000180103843 525789752 /nfs/dbraw/zinc/78/97/52/525789752.db2.gz MFXWJTXEKZBTPG-CYBMUJFWSA-N 2 1 310.413 2.056 10 10 DECEMP